CID 13288518

1-(2,2,2-trifluoroethyl)-1h-imidazole

Structural Information

Molecular Formula

C₅H₅F₃N₂

SMILES

C1=CN(C=N1)CC(F)(F)F

InChI

InChI=1S/C5H5F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,4H,3H2

InChIKey

SIQDXYGMYLVBTA-UHFFFAOYSA-N

Compound name

1-(2,2,2-trifluoroethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 150.04048 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.04776	123.8
[M+Na]+	173.02970	133.5
[M-H]-	149.03320	121.1
[M+NH4]+	168.07430	144.1
[M+K]+	189.00364	132.0
[M+H-H2O]+	133.03774	114.9
[M+HCOO]-	195.03868	143.0
[M+CH3COO]-	209.05433	172.9
[M+Na-2H]-	171.01515	130.7
[M]+	150.03993	119.9
[M]-	150.04103	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe